4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine

C10H16BrN5 — CID 12763837

IUPAC4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(C)c(NC2=NCCN2)c1Br
InChIInChI=1S/C10H16BrN5/c1-6(2)8-7(11)9(16(3)15-8)14-10-12-4-5-13-10/h6H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyXWRADOULVZVHDR-UHFFFAOYSA-N
MW286.18 g/mol
LogP1.68
Rot. Bonds2

About 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine

4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine (PubChem CID 12763837) has the molecular formula C10H16BrN5 and a molecular weight of 286.18 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine
PubChem CID12763837
Molecular FormulaC10H16BrN5
Molecular Weight286.18 g/mol
Exact Mass285.06
IUPAC Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(C)c(NC2=NCCN2)c1Br
InChIInChI=1S/C10H16BrN5/c1-6(2)8-7(11)9(16(3)15-8)14-10-12-4-5-13-10/h6H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyXWRADOULVZVHDR-UHFFFAOYSA-N
XLogP1.68
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine (CID 12763837) is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine is CC(C)c1nn(C)c(NC2=NCCN2)c1Br.
What is the InChIKey of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine?
The InChIKey is XWRADOULVZVHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN5/c1-6(2)8-7(11)9(16(3)15-8)14-10-12-4-5-13-10/h6H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine?
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine has a molecular weight of 286.18 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 12763837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).